#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:59:23 +0300 (Thu, 24 May 2018) $ #$Revision: 845 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000332.rod $ #------------------------------------------------------------------------------ # # This file is available in the Raman Open Database (ROD), # http://solsa.crystallography.net/rod/ # # All data on this site have been placed in the public domain by the # contributors. # data_1000332 loop_ _publ_author_name 'Geiger, C. A.' 'Armbruster, T.' 'Lager, G. A.' 'Jiang, K.' 'Lottermoser, W.' 'Amthauer, G.' _publ_section_title ; A combined temperature dependent 57Fe Mossbauer and single crystal X-ray diffraction study of synthetic almandine: evidence for the Gol'danskii-Karyagin Effect Sample: T = 293 K (B) ; _journal_name_full 'Physics and Chemistry of Minerals' _journal_page_first 121 _journal_page_last 126 _journal_volume 19 _journal_year 1992 _chemical_compound_source R120152 _chemical_formula_sum 'Al2 Fe3 O12 Si3' _chemical_name_mineral Almandine _space_group_IT_number 230 _symmetry_space_group_name_Hall '-I 4bd 2c 3' _symmetry_space_group_name_H-M 'I a -3 d' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 11.525 _cell_length_b 11.525 _cell_length_c 11.525 _cell_volume 1530.815 _diffrn_ambient_temperature 293 _exptl_crystal_density_diffrn 4.319 _cod_original_formula_sum 'Fe3 Al2 Si3 O12' _cod_database_code 9006109 _raman_determination_method experimental _raman_measurement_device.location 'Arizona University' _raman_measurement_device.company 'Thermo Scientific' _raman_measurement_device.model 'Nicolet Almega XR' _raman_measurement_device.optics_type microscope _raman_measurement_device.microscope_system dispersive _raman_measurement_device.microscope_objective_magnification 50 _raman_measurement_device.microscope_numerical_aperture 0.5 _raman_measurement_device.excitation_laser_type other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _raman_measurement_device.direction_polarization unoriented _raman_measurement_device.spot_size 1 _raman_measurement_device.diffraction_grating 400 _raman_measurement.environment Air _raman_measurement.environment_details ; The sample was measured in air. ; _raman_measurement.temperature 300 _raman_measurement.pressure 100 _raman_measurement.background_subtraction no _raman_measurement.background_subtraction_details ; No background subtraction method was applied. ; _raman_measurement.baseline_correction no _raman_measurement.baseline_correction_details ; No baseline correction method was applied. ; _raman_measurement.integration_time 10 _rod_data_source.file R120152.rod _rod_data_source.block 3500000 _rod_database.code 1000332 loop_ _raman_complementary.id _raman_complementary.method 1 XRD loop_ _raman_measurement_device_calibration.id _raman_measurement_device_calibration.standard 1 neon_lamp loop_ _rod_related_entry.id _rod_related_entry.code _rod_related_entry.database _rod_related_entry.uri _rod_related_entry.description 1 9006109 COD http://www.crystallography.net/cod/9006109.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 156.3759 0.0000000E+00 156.8580 6.0009998E-03 157.3401 3.0125000E-02 157.8222 0.3560330 158.3043 0.9376220 158.7864 1.364910 159.2686 1.681908 159.7507 2.091660 160.2328 2.173969 160.7149 2.038746 161.1970 1.816078 161.6791 1.641830 162.1613 0.7522470 162.6434 0.5277290 163.1255 0.3636630 163.6076 0.5184520 164.0897 0.6800730 164.5718 0.9978600 165.0540 1.169758 165.5361 0.9058570 166.0182 0.2290650 166.5003 0.2643780 166.9824 5.4832000E-02 167.4645 0.4664080 167.9467 0.8130110 168.4288 0.6873280 168.9109 0.9306340 169.3930 1.902687 169.8751 2.263546 170.3572 0.1790890 170.8394 1.255760 171.3215 1.067829 171.8036 0.8295140 172.2857 2.355595 172.7678 0.6349870 173.2499 2.136127 173.7321 2.353100 174.2142 3.159504 174.6963 2.692894 175.1784 2.620625 175.6605 3.823524 176.1426 4.321453 176.6248 3.711102 177.1069 4.559307 177.5890 2.802917 178.0711 3.332935 178.5532 4.849628 179.0353 4.305458 179.5175 5.178883 179.9996 5.512775 180.4817 5.165112 180.9638 4.650463 181.4459 4.793125 181.9280 4.858643 182.4102 4.883301 182.8923 4.886120 183.3744 4.988503 183.8565 5.301117 184.3386 5.777565 184.8207 6.292656 185.3029 6.858414 185.7850 7.406815 186.2671 7.811970 186.7492 8.078297 187.2313 8.329056 187.7134 8.504532 188.1956 8.685608 188.6777 9.312469 189.1598 10.60126 189.6419 12.20633 190.1240 13.42014 190.6061 14.24775 191.0883 14.84741 191.5704 15.23246 192.0525 15.44077 192.5346 15.81127 193.0167 16.41403 193.4988 17.15668 193.9810 17.68374 194.4631 17.92603 194.9452 18.23618 195.4273 18.56707 195.9094 18.91839 196.3915 19.46924 196.8737 20.33809 197.3558 21.39114 197.8379 22.13868 198.3200 22.53587 198.8021 22.84619 199.2842 23.30761 199.7664 23.93182 200.2485 24.51336 200.7306 24.99533 201.2127 25.40601 201.6948 25.90143 202.1769 26.48340 202.6591 27.14596 203.1412 27.89691 203.6233 28.75330 204.1054 29.57515 204.5875 30.22375 205.0696 30.76481 205.5518 31.93191 206.0339 33.92142 206.5160 36.07910 206.9981 37.67701 207.4802 38.56450 207.9623 39.54112 208.4445 40.79340 208.9266 42.31689 209.4087 43.94071 209.8908 45.76253 210.3729 47.60885 210.8550 49.20652 211.3372 50.48785 211.8193 51.60519 212.3014 52.56243 212.7835 53.25411 213.2656 53.99754 213.7477 55.08508 214.2299 56.04703 214.7120 56.29784 215.1941 55.67878 215.6762 54.76706 216.1583 53.61652 216.6404 52.21862 217.1226 51.13483 217.6047 50.52457 218.0868 49.93422 218.5689 48.82129 219.0510 47.03840 219.5331 45.08257 220.0153 42.99562 220.4974 40.81010 220.9795 38.72373 221.4616 36.78322 221.9437 35.05627 222.4258 33.71544 222.9080 32.93505 223.3901 31.90101 223.8722 30.26867 224.3543 27.82906 224.8364 26.04438 225.3185 25.00794 225.8007 24.42283 226.2828 23.86457 226.7649 23.55441 227.2470 23.09149 227.7291 22.38948 228.2112 21.41909 228.6934 20.29340 229.1755 18.83313 229.6576 17.36388 230.1397 16.37018 230.6218 16.10580 231.1039 15.82558 231.5861 15.31886 232.0682 14.52779 232.5503 13.87801 233.0324 13.41956 233.5145 13.06389 233.9966 12.69842 234.4788 11.12854 234.9609 12.31194 235.4430 12.84816 235.9251 12.77193 236.4072 10.24899 236.8893 10.88551 237.3715 10.25581 237.8536 9.574276 238.3357 10.65553 238.8178 8.488510 239.2999 9.541821 239.7820 9.309650 240.2642 9.665752 240.7463 8.747952 241.2284 8.223652 241.7105 8.973740 242.1926 9.018162 242.6747 7.953644 243.1569 8.347065 243.6390 6.135452 244.1211 6.209812 244.6032 7.270405 245.0853 6.269768 245.5674 6.686348 246.0496 6.563042 246.5317 5.759895 247.0138 5.676399 247.4959 4.496445 247.9780 4.263168 248.4601 3.897202 248.9423 3.527004 249.4244 3.322983 249.9065 3.444782 250.3886 3.410385 250.8707 3.021244 251.3528 2.251034 251.8350 1.839352 252.3171 1.950611 252.7992 2.244762 253.2813 2.396599 253.7634 2.410683 254.2455 2.258041 254.7277 1.841614 255.2098 1.150143 255.6919 0.7961540 256.1740 0.9447170 256.6561 1.221703 257.1382 1.246174 257.6204 0.8676300 258.1025 0.6052090 258.5846 0.5962940 259.0667 0.8248860 259.5488 0.9637680 260.0309 1.013931 260.5131 0.9717520 260.9952 0.8114850 261.4773 0.4727330 261.9594 0.1864930 262.4415 1.1395000E-02 262.9236 6.7589000E-02 263.4058 0.2065240 263.8879 0.4677050 264.3700 0.6853830 264.8521 0.6994970 265.3342 0.4209370 265.8163 0.2395900 266.2985 0.2285190 266.7806 0.3620610 267.2627 0.5300030 267.7448 0.7942090 268.2269 0.9612850 268.7090 0.8236770 269.1912 0.2634930 269.6733 8.6300001E-02 270.1554 9.3304001E-02 270.6375 0.1528360 271.1196 0.3092380 271.6017 0.3791310 272.0839 0.3531380 272.5660 0.1211590 273.0481 0.4090650 273.5302 0.5001260 274.0123 8.4582999E-02 274.4944 1.045994 274.9766 1.486767 275.4587 1.313496 275.9408 0.9842610 276.4229 0.7474750 276.9050 0.6040190 277.3871 0.5186000 277.8693 1.617863 278.3514 0.1254120 278.8335 0.7507130 279.3156 1.043705 279.7977 0.9934010 280.2798 2.1895999E-02 280.7620 0.2561490 281.2441 0.5398750 281.7262 0.8551290 282.2083 0.8432010 282.6904 0.5252040 283.1725 0.6694600 283.6547 1.374153 284.1368 0.8658490 284.6189 0.7324100 285.1010 1.812790 285.5831 2.221226 286.0652 1.573689 286.5474 2.314884 287.0295 2.246021 287.5116 1.012684 287.9937 2.389626 288.4758 1.803654 288.9579 1.407299 289.4401 1.530369 289.9222 1.718811 290.4043 1.982552 290.8864 2.305267 291.3685 2.551517 291.8506 2.612026 292.3328 2.563866 292.8149 2.614201 293.2970 2.761547 293.7791 3.015957 294.2612 3.456699 294.7433 4.033409 295.2255 4.535034 295.7076 4.835155 296.1897 5.046078 296.6718 5.407047 297.1539 5.912407 297.6360 6.408451 298.1182 6.657944 298.6003 6.789722 299.0824 7.133015 299.5645 7.796093 300.0466 8.694721 300.5287 9.879879 301.0109 11.28700 301.4930 12.49294 301.9751 12.95944 302.4572 13.05189 302.9393 13.37703 303.4214 14.09423 303.9036 15.03665 304.3857 15.99420 304.8678 17.00909 305.3499 18.26295 305.8320 20.19192 306.3141 22.28971 306.7963 23.78052 307.2784 24.30516 307.7605 24.95295 308.2426 26.78226 308.7247 29.45003 309.2068 32.13371 309.6890 34.37555 310.1711 36.47383 310.6532 38.77978 311.1353 41.43639 311.6174 43.69829 312.0995 44.84397 312.5817 45.28389 313.0638 45.70132 313.5459 46.60800 314.0280 47.40796 314.5101 47.77987 314.9922 47.70237 315.4744 47.21698 315.9565 45.90213 316.4386 44.33457 316.9207 43.18772 317.4028 42.97078 317.8849 42.92867 318.3671 42.76510 318.8492 42.48007 319.3313 42.26654 319.8134 42.04877 320.2955 41.99454 320.7776 42.24414 321.2598 42.69923 321.7419 43.57610 322.2240 45.21205 322.7061 47.44522 323.1882 49.39049 323.6703 50.49357 324.1525 51.50771 324.6346 52.82182 325.1167 54.47614 325.5988 56.43237 326.0809 58.94133 326.5630 61.79966 327.0452 64.43432 327.5273 66.36817 328.0094 68.37547 328.4915 70.77051 328.9736 73.82101 329.4557 76.61027 329.9379 78.84324 330.4200 80.93790 330.9021 83.49155 331.3842 86.53897 331.8663 89.99624 332.3484 93.87350 332.8306 98.17748 333.3127 102.5935 333.7948 106.8812 334.2769 111.5283 334.7590 117.0218 335.2411 123.5364 335.7233 130.5096 336.2054 137.8990 336.6875 145.7052 337.1696 154.2052 337.6517 163.3129 338.1339 173.1973 338.6160 183.6683 339.0981 194.7174 339.5802 206.8109 340.0623 220.1714 340.5444 234.5377 341.0266 247.9623 341.5087 260.5535 341.9908 272.5558 342.4729 284.6885 342.9550 296.8361 343.4371 307.1364 343.9193 315.5044 344.4014 321.6508 344.8835 325.0587 345.3656 325.7284 345.8477 323.3646 346.3298 317.7165 346.8120 308.8754 347.2941 297.0378 347.7762 281.8368 348.2583 265.0952 348.7404 248.4786 349.2225 232.0081 349.7047 215.7403 350.1868 199.2368 350.6689 183.2127 351.1510 168.6821 351.6331 155.7041 352.1152 143.9354 352.5974 133.2440 353.0795 123.5375 353.5616 114.6495 354.0437 106.5288 354.5258 99.24303 355.0079 92.79536 355.4901 87.19902 355.9722 82.36515 356.4543 78.44719 356.9364 75.18093 357.4185 72.27325 357.9006 69.71477 358.3828 67.45047 358.8649 65.34744 359.3470 63.44747 359.8291 61.88300 360.3112 60.83928 360.7933 60.11081 361.2755 59.57254 361.7576 59.22190 362.2397 59.07860 362.7218 59.23022 363.2039 59.50926 363.6860 59.76966 364.1682 60.00460 364.6503 60.23296 365.1324 60.39199 365.6145 60.48366 366.0966 60.74417 366.5787 61.35524 367.0609 62.06620 367.5430 62.70913 368.0251 63.21694 368.5072 63.70469 368.9893 64.26942 369.4714 64.84028 369.9536 65.21877 370.4357 65.42844 370.9178 65.20644 371.3999 64.37318 371.8820 62.71918 372.3641 61.10906 372.8463 59.71246 373.3284 58.39324 373.8105 56.79668 374.2926 54.88144 374.7747 53.09283 375.2568 51.86885 375.7390 51.21020 376.2211 49.53446 376.7032 46.49992 377.1853 43.10093 377.6674 40.29095 378.1495 38.13064 378.6317 35.96114 379.1138 33.65002 379.5959 31.25764 380.0780 29.14865 380.5601 27.39785 381.0422 25.78416 381.5244 24.18258 382.0065 22.68645 382.4886 21.21172 382.9707 19.84974 383.4528 18.65735 383.9349 17.37999 384.4171 16.18180 384.8992 15.23203 385.3813 14.80077 385.8634 14.59885 386.3455 13.90251 386.8276 12.65269 387.3098 11.41151 387.7919 10.54870 388.2740 9.961475 388.7561 9.469566 389.2382 8.916271 389.7203 7.209084 390.2025 8.270500 390.6846 8.715809 391.1667 8.577980 391.6488 6.109917 392.1309 6.650867 392.6130 5.985828 393.0952 5.271179 393.5773 6.235634 394.0594 4.106300 394.5415 5.043663 395.0236 4.756550 395.5057 5.029720 395.9879 4.089268 396.4700 3.523479 396.9521 3.263039 397.4342 2.961426 397.9163 2.608608 398.3984 2.291683 398.8806 2.090172 399.3627 2.119556 399.8448 2.139652 400.3269 2.141933 400.8090 2.120247 401.2911 2.029678 401.7733 1.823471 402.2554 1.602386 402.7375 1.423134 403.2196 1.318668 403.7017 1.160950 404.1838 0.8990670 404.6660 0.6232800 405.1481 0.5348240 405.6302 0.6852110 406.1123 0.8258290 406.5944 0.8270570 407.0765 0.7037660 407.5587 0.8457030 408.0408 1.332561 408.5229 1.782814 409.0050 1.695980 409.4871 1.117287 409.9692 0.7099460 410.4514 0.6516610 410.9335 0.8045810 411.4156 0.9479480 411.8977 1.073547 412.3798 1.095703 412.8619 0.8920780 413.3441 0.5577200 413.8262 0.2790570 414.3083 8.5045002E-02 414.7904 9.7953998E-02 415.2725 0.4542660 415.7546 0.8522340 416.2368 1.028141 416.7189 0.6029700 417.2010 9.0584002E-02 417.6831 0.1068000 418.1652 8.4499996E-03 418.6473 0.2315180 419.1295 0.6380270 419.6116 1.008579 420.0937 1.124847 420.5758 0.7170260 421.0579 0.3690530 421.5400 0.3161350 422.0222 0.4622230 422.5043 0.5698200 422.9864 0.5493160 423.4685 0.5103840 423.9506 0.5055660 424.4327 0.5683780 424.9149 0.5582200 425.3970 0.4272920 425.8791 0.2459680 426.3612 8.7517001E-02 426.8433 2.6402000E-02 427.3254 0.9889830 427.8076 0.4088360 428.2897 1.189865 428.7718 1.387280 429.2539 0.7458800 429.7360 0.1290320 430.2181 0.2024310 430.7003 0.5840070 431.1824 0.7123950 431.6645 1.085148 432.1466 0.1831400 432.6287 0.2267110 433.1108 0.8301620 433.5930 0.2199440 434.0751 1.5957000E-02 434.5572 0.9613150 435.0393 1.266216 435.5214 0.5146790 436.0035 1.151394 436.4857 0.6932300 436.9678 0.3616180 437.4499 0.9086150 437.9320 0.2154580 438.4141 0.8716960 438.8962 1.013515 439.3784 1.181236 439.8605 0.6858600 440.3426 0.7955210 440.8247 0.8993110 441.3068 0.8269350 441.7889 0.6204800 442.2711 0.9360350 442.7532 0.4001460 443.2353 0.7535720 443.7174 0.5680580 444.1995 1.0639000E-02 444.6816 0.4354820 445.1638 0.3347820 445.6459 0.3954430 446.1280 0.7280460 446.6101 3.7186000E-02 447.0922 0.6802180 447.5743 1.078636 448.0565 1.014004 448.5386 0.9790040 449.0207 0.9951100 449.5028 1.027634 449.9849 1.019749 450.4670 0.9164700 450.9492 0.9007260 451.4313 1.037495 451.9134 1.302540 452.3955 1.518749 452.8776 1.677513 453.3597 1.805611 453.8419 1.932297 454.3240 2.055199 454.8061 2.068287 455.2882 1.909828 455.7703 1.777740 456.2524 2.048618 456.7346 2.666443 457.2167 3.229645 457.6988 3.575172 458.1809 3.763733 458.6630 3.833035 459.1451 3.795021 459.6273 3.857445 460.1094 4.255882 460.5915 4.820690 461.0736 5.327126 461.5557 5.704800 462.0378 6.073692 462.5200 6.470554 463.0021 6.920883 463.4842 7.465759 463.9663 8.290398 464.4484 9.070293 464.9305 9.596104 465.4127 9.844357 465.8948 10.15165 466.3769 10.46566 466.8590 10.92978 467.3411 11.64663 467.8232 12.91533 468.3054 14.06556 468.7875 15.00644 469.2696 15.81826 469.7517 16.67935 470.2338 17.49041 470.7159 18.52772 471.1981 19.92942 471.6802 21.70786 472.1623 23.49339 472.6444 25.25235 473.1265 27.01265 473.6086 28.82410 474.0908 30.69704 474.5729 32.49570 475.0550 34.26405 475.5371 35.81729 476.0192 36.81412 476.5013 37.27186 476.9835 37.35571 477.4656 37.22374 477.9477 36.78482 478.4298 35.82381 478.9119 34.31842 479.3940 32.59837 479.8762 30.83215 480.3583 29.03346 480.8404 27.20909 481.3225 25.20967 481.8046 23.36949 482.2867 21.78904 482.7689 20.49736 483.2510 19.56437 483.7331 19.07724 484.2152 18.90184 484.6973 18.98593 485.1794 19.26954 485.6616 19.83760 486.1437 20.65633 486.6258 21.65718 487.1079 22.71601 487.5900 23.78778 488.0721 25.28776 488.5543 27.34612 489.0364 29.90107 489.5185 32.34736 490.0006 34.70314 490.4827 37.42746 490.9648 40.69956 491.4470 44.51175 491.9291 48.83173 492.4112 53.68242 492.8933 58.99988 493.3754 64.72353 493.8575 70.87663 494.3397 77.39645 494.8218 84.29499 495.3039 91.68889 495.7860 99.89906 496.2681 108.6739 496.7502 117.0636 497.2324 125.0313 497.7145 132.2157 498.1966 138.3567 498.6787 143.4213 499.1608 146.4326 499.6429 147.0236 500.1251 145.0594 500.6072 140.3717 501.0893 131.3028 501.5714 121.6903 502.0535 111.9688 502.5356 102.2041 503.0178 92.66569 503.4999 82.71645 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